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Home > Nitro Compounds > 1313738-95-2
1313738-95-2 | 2H-Pyran, tetrahydro-4-nitro-
CAS No: 1313738-95-2 Catalog No: AG000W1O MDL No:MFCD19443965
Product Description
Catalog Number:
AG000W1O
Chemical Name:
2H-Pyran, tetrahydro-4-nitro-
CAS Number:
1313738-95-2
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD19443965
IUPAC Name:
4-nitrooxane
InChI:
InChI=1S/C5H9NO3/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
InChI Key:
NEJGJDRGDXBKGD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCOCC1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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